8-imino-1,3,5,8a-tetrahydronaphthalen-2-one

C10H11NO — CID 91425909

IUPAC8-imino-1,3,5,8a-tetrahydronaphthalen-2-one
SMILES[H]/N=C1\C=CCC2=CCC(=O)CC21
InChIInChI=1S/C10H11NO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1,3-4,9,11H,2,5-6H2/b11-10+
InChIKeyFWLSOSLLCQPBMH-ZHACJKMWSA-N
MW161.20 g/mol
LogP1.87
Rot. Bonds

About 8-imino-1,3,5,8a-tetrahydronaphthalen-2-one

8-imino-1,3,5,8a-tetrahydronaphthalen-2-one (PubChem CID 91425909) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 8-imino-1,3,5,8a-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name8-imino-1,3,5,8a-tetrahydronaphthalen-2-one
PubChem CID91425909
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name8-imino-1,3,5,8a-tetrahydronaphthalen-2-one
SMILES[H]/N=C1\C=CCC2=CCC(=O)CC21
InChIInChI=1S/C10H11NO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1,3-4,9,11H,2,5-6H2/b11-10+
InChIKeyFWLSOSLLCQPBMH-ZHACJKMWSA-N
XLogP1.87
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Imino-2,6-dimethylcyclohex-2-en-1-one
CID 178244250
5-Imino-1,3,4,4a,6,8a-hexahydronaphthalen-2-one
CID 57115373
4,6-Diimino-3,5-dimethylcyclohex-2-en-1-one
CID 57207871
2-Diazo-3,5,6,7,8,8a-hexahydronaphthalen-1-one
CID 59968537
1-Cyclohex-3-en-1-yl-1-iminopropan-2-one
CID 89105658
6-Imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one
CID 90712963
2-Imino-6-methyldec-8-en-3-one
CID 90885707
1-(4-Iminocyclohex-2-en-1-yl)ethanone
CID 90892543
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
CID 123151880
6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one
CID 123160987
9-Imino-3,7,10-trimethylundeca-7,10-dien-2-one
CID 123272303
(4Z)-2-ethyl-3-iminocyclooct-4-en-1-one
CID 123433659

Frequently Asked Questions

What is the IUPAC name of 8-imino-1,3,5,8a-tetrahydronaphthalen-2-one?
The IUPAC name of 8-imino-1,3,5,8a-tetrahydronaphthalen-2-one (CID 91425909) is 8-imino-1,3,5,8a-tetrahydronaphthalen-2-one.
What is the SMILES notation for 8-imino-1,3,5,8a-tetrahydronaphthalen-2-one?
The canonical SMILES for 8-imino-1,3,5,8a-tetrahydronaphthalen-2-one is [H]/N=C1\C=CCC2=CCC(=O)CC21.
What is the InChIKey of 8-imino-1,3,5,8a-tetrahydronaphthalen-2-one?
The InChIKey is FWLSOSLLCQPBMH-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H11NO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1,3-4,9,11H,2,5-6H2/b11-10+.
What are the key properties of 8-imino-1,3,5,8a-tetrahydronaphthalen-2-one?
8-imino-1,3,5,8a-tetrahydronaphthalen-2-one has a molecular weight of 161.20 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imino-1,3,5,8a-tetrahydronaphthalen-2-one is sourced from PubChem (CID 91425909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).